#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bny s SER 2 N 0.00 -0.31 0.00 0.00 0.15 -1.26 -5.01 113.70 107.27 2bny s SER 2 Ca 0.00 0.51 0.09 0.00 0.70 0.00 0.00 55.95 57.25 2bny s SER 2 Cb 0.00 1.03 0.17 0.00 -1.71 0.00 0.00 66.02 65.52 2bny s SER 2 CO 0.00 -0.08 1.02 -0.46 1.20 0.00 0.00 173.24 174.92 2bny n ASN 3 N 3.20 2.31 -3.65 5.45 6.94 -1.26 -4.66 115.26 123.59 2bny n ASN 3 Ca -0.17 -1.71 -0.41 0.00 -0.02 0.00 0.00 54.58 52.27 2bny n ASN 3 Cb 0.57 -0.10 0.01 0.00 -2.36 0.00 0.00 39.78 37.89 2bny n ASN 3 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2bny n PHE 4 N 0.46 2.65 -4.74 -2.53 7.35 -1.26 -4.91 117.46 114.48 2bny n PHE 4 Ca 0.08 -2.72 -0.32 0.00 -0.76 0.00 0.00 57.45 53.73 2bny n PHE 4 Cb 0.32 -1.63 -0.07 0.00 0.35 0.00 0.00 39.48 38.45 2bny n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2bny s THR 5 N -1.85 1.02 0.37 -2.13 -4.23 -1.26 -4.78 115.64 102.78 2bny s THR 5 Ca 0.45 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.79 2bny s THR 5 Cb 0.15 -2.13 -0.10 0.00 1.34 0.00 0.00 72.50 71.77 2bny s THR 5 CO -0.06 0.00 0.82 0.00 -0.54 0.00 0.00 174.62 174.84 2bny s GLN 6 N -3.86 4.09 0.20 3.99 -2.07 -1.26 -4.51 119.66 116.24 2bny s GLN 6 Ca 0.06 0.85 -0.08 0.00 -1.82 0.00 0.00 55.36 54.37 2bny s GLN 6 Cb 0.01 -2.33 -0.02 0.00 -1.09 0.00 0.00 33.01 29.59 2bny s GLN 6 CO 0.03 0.08 0.29 -0.59 -1.32 0.00 0.00 175.29 173.79 2bny s PHE 7 N -2.07 0.62 -0.27 9.60 -0.71 -0.83 -5.00 117.98 119.31 2bny s PHE 7 Ca 0.57 -0.94 -0.23 0.00 -1.04 0.00 0.00 56.93 55.29 2bny s PHE 7 Cb -0.10 -0.13 -0.01 0.00 -1.21 0.00 0.00 43.02 41.57 2bny s PHE 7 CO 0.16 -0.78 0.77 0.08 -1.34 0.00 0.00 175.22 174.11 2bny s VAL 8 N -4.04 4.85 -0.07 -2.49 1.01 -1.26 -1.37 120.40 117.03 2bny s VAL 8 Ca 0.25 1.30 -0.13 0.00 0.00 0.00 0.00 61.98 63.40 2bny s VAL 8 Cb 0.03 -4.09 -0.29 0.00 0.00 0.00 0.00 36.38 32.03 2bny s VAL 8 CO 0.06 -0.13 0.62 0.25 0.00 0.00 0.00 175.10 175.90 2bny h LEU 9 N 9.26 0.52 -8.07 3.92 5.85 -1.02 -3.45 115.31 122.32 2bny h LEU 9 Ca -0.24 -0.91 -0.63 0.00 0.84 0.00 0.00 57.88 56.94 2bny h LEU 9 Cb 1.10 -0.17 -0.35 0.00 0.37 0.00 0.00 40.66 41.62 2bny h LEU 9 CO 0.86 1.73 -0.85 -0.69 -0.34 0.00 0.00 178.44 179.14 2bny s VAL 10 N -2.54 1.75 -0.46 1.05 1.01 -0.94 -5.00 120.40 115.27 2bny s VAL 10 Ca -0.18 -0.79 -0.15 0.00 0.00 0.00 0.00 61.98 60.87 2bny s VAL 10 Cb 0.05 -1.58 0.07 0.00 0.00 0.00 0.00 36.38 34.92 2bny s VAL 10 CO 0.82 0.49 0.38 -0.62 0.00 0.00 0.00 175.10 176.17 2bny s ASP 11 N 0.99 6.13 -0.74 3.32 -1.08 -1.26 -1.26 116.67 122.76 2bny s ASP 11 Ca -0.05 -1.29 0.03 0.00 -0.52 0.00 0.00 52.55 50.72 2bny s ASP 11 Cb -0.15 -2.17 0.30 0.00 -1.46 0.00 0.00 42.92 39.43 2bny s ASP 11 CO -0.03 -0.62 1.07 0.59 0.52 0.00 0.00 175.17 176.69 2bny n ASN 12 N 5.19 4.89 0.00 -0.34 3.02 -1.26 -5.00 115.26 121.76 2bny n ASN 12 Ca -0.12 -3.55 0.00 0.00 -0.03 0.00 0.00 54.58 50.88 2bny n ASN 12 Cb 0.44 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 2bny n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bny n GLY 13 N 0.46 2.61 0.02 7.41 0.00 -1.26 -3.29 105.19 111.14 2bny n GLY 13 Ca 0.32 -0.30 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 2bny n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bny n GLY 14 N 0.00 -0.18 3.34 -0.02 0.00 -1.26 -4.87 105.19 102.20 2bny n GLY 14 Ca 0.00 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 2bny n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bny s THR 15 N -2.12 3.35 0.00 2.61 -4.23 -1.21 -4.31 115.64 109.73 2bny s THR 15 Ca -0.02 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.98 2bny s THR 15 Cb 0.01 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.36 2bny s THR 15 CO 0.15 0.45 0.00 0.61 -0.54 0.00 0.00 174.62 175.30 2bny n GLY 16 N 4.41 0.88 3.70 3.99 0.00 -1.26 -4.78 105.19 112.13 2bny n GLY 16 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 2bny n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bny n ASP 17 N 0.00 3.83 -4.54 1.61 9.92 -1.26 -4.58 116.55 121.53 2bny n ASP 17 Ca 0.00 1.03 -0.42 0.00 -0.53 0.00 0.00 54.79 54.87 2bny n ASP 17 Cb 0.00 -1.53 -0.08 0.00 -0.64 0.00 0.00 41.12 38.88 2bny n ASP 17 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2bny s VAL 18 N 1.91 4.97 -0.05 2.53 1.01 -0.39 -4.98 120.40 125.40 2bny s VAL 18 Ca 0.79 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.98 2bny s VAL 18 Cb -0.54 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 31.77 2bny s VAL 18 CO 0.36 -0.34 -0.02 -0.89 0.00 0.00 0.00 175.10 174.21 2bny s THR 19 N 2.47 4.07 -0.10 3.92 2.01 -1.26 -0.32 115.64 126.43 2bny s THR 19 Ca 0.19 -0.45 0.04 0.00 0.31 0.00 0.00 61.69 61.78 2bny s THR 19 Cb -0.15 -2.74 0.00 0.00 0.01 0.00 0.00 72.50 69.62 2bny s THR 19 CO 0.15 0.52 -0.22 0.54 -0.69 0.00 0.00 174.62 174.91 2bny s VAL 20 N -0.94 1.92 0.20 3.82 0.11 -0.47 -4.19 120.40 120.85 2bny s VAL 20 Ca 0.15 -0.93 0.08 0.00 -2.93 0.00 0.00 61.98 58.35 2bny s VAL 20 Cb -0.11 -1.67 -0.04 0.00 -1.53 0.00 0.00 36.38 33.03 2bny s VAL 20 CO 0.05 0.53 -0.03 0.00 -3.33 0.00 0.00 175.10 172.32 2bny s ALA 21 N 0.41 3.11 0.53 1.54 0.00 -0.65 -1.97 121.76 124.72 2bny s ALA 21 Ca -0.18 -1.49 -0.21 0.00 0.00 0.00 0.00 51.96 50.08 2bny s ALA 21 Cb -0.18 -0.84 -0.07 0.00 0.00 0.00 0.00 23.12 22.03 2bny s ALA 21 CO 0.08 0.41 1.05 -2.30 0.00 0.00 0.00 175.76 174.99 2bny n PRO 22 N -0.31 1.22 0.00 0.00 -0.02 -1.26 -0.51 135.00 134.11 2bny n PRO 22 Ca -0.09 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2bny n PRO 22 Cb 0.56 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2bny n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2bny n SER 23 N -0.30 0.46 -3.80 2.55 3.41 -0.12 -4.73 113.62 111.09 2bny n SER 23 Ca 0.11 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.63 2bny n SER 23 Cb 0.44 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.32 2bny n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2bny s ASN 24 N -4.17 0.03 -0.40 4.04 3.04 -1.19 -5.03 114.94 111.27 2bny s ASN 24 Ca 0.00 -0.56 0.10 0.00 0.04 0.00 0.00 52.86 52.44 2bny s ASN 24 Cb 0.00 0.37 0.38 0.00 -1.54 0.00 0.00 41.25 40.46 2bny s ASN 24 CO 0.00 -0.75 1.15 0.33 -3.04 0.00 0.00 177.10 174.79 2bny n PHE 25 N -0.07 -1.61 -3.93 0.43 7.35 -1.26 -0.58 117.46 117.79 2bny n PHE 25 Ca -0.15 -2.34 -0.33 0.00 -0.76 0.00 0.00 57.45 53.87 2bny n PHE 25 Cb 0.63 1.02 -0.05 0.00 0.35 0.00 0.00 39.48 41.43 2bny n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2bny s ALA 26 N -0.69 3.94 -1.46 3.13 0.00 -1.21 -4.47 121.76 121.00 2bny s ALA 26 Ca 0.25 -0.80 -0.05 0.00 0.00 0.00 0.00 51.96 51.36 2bny s ALA 26 Cb 0.38 -1.84 0.01 0.00 0.00 0.00 0.00 23.12 21.67 2bny s ALA 26 CO -0.05 0.77 0.69 0.09 0.00 0.00 0.00 175.76 177.25 2bny n ASN 27 N 0.77 -6.01 -0.64 0.00 5.03 -1.26 -2.22 115.26 110.94 2bny n ASN 27 Ca -0.09 -0.32 -0.08 0.00 0.87 0.00 0.00 54.58 54.95 2bny n ASN 27 Cb 0.52 -4.79 -0.04 0.00 -1.02 0.00 0.00 39.78 34.46 2bny n ASN 27 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bny n GLY 28 N -1.58 0.97 3.07 7.41 0.00 -1.26 -4.98 105.19 108.82 2bny n GLY 28 Ca -0.09 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 2bny n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bny s VAL 29 N -2.13 2.24 0.30 1.61 1.01 -0.94 -4.46 120.40 118.04 2bny s VAL 29 Ca 0.00 -1.68 -0.27 0.00 0.00 0.00 0.00 61.98 60.03 2bny s VAL 29 Cb 0.00 -2.35 -0.10 0.00 0.00 0.00 0.00 36.38 33.94 2bny s VAL 29 CO 0.00 -0.08 0.96 0.00 0.00 0.00 0.00 175.10 175.98 2bny s ALA 30 N 1.10 3.25 -0.01 5.51 0.00 -0.18 -3.29 121.76 128.14 2bny s ALA 30 Ca -0.07 0.59 0.01 0.00 0.00 0.00 0.00 51.96 52.49 2bny s ALA 30 Cb -0.20 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.72 2bny s ALA 30 CO -0.05 0.14 -0.03 -2.00 0.00 0.00 0.00 175.76 173.82 2bny s GLU 31 N -1.78 0.38 0.01 0.00 2.12 0.25 -1.45 118.70 118.23 2bny s GLU 31 Ca 0.48 -0.09 0.08 0.00 0.36 0.00 0.00 54.97 55.80 2bny s GLU 31 Cb -0.22 -0.42 -0.02 0.00 0.26 0.00 0.00 34.13 33.73 2bny s GLU 31 CO 0.28 0.01 -0.25 -1.58 -0.54 0.00 0.00 175.26 173.18 2bny s TRP 32 N 0.29 2.19 -0.00 5.30 0.51 0.10 -0.94 118.94 126.39 2bny s TRP 32 Ca -0.03 -0.41 0.01 0.00 -2.12 0.00 0.00 56.10 53.55 2bny s TRP 32 Cb -0.06 -1.36 0.00 0.00 -0.81 0.00 0.00 33.47 31.24 2bny s TRP 32 CO -0.01 0.04 -0.02 0.42 -0.51 0.00 0.00 176.95 176.87 2bny s ILE 33 N -0.69 0.17 0.70 2.03 -1.09 0.33 -1.40 121.20 121.26 2bny s ILE 33 Ca 0.10 -0.07 -0.11 0.00 -2.23 0.00 0.00 60.65 58.34 2bny s ILE 33 Cb -0.10 -0.17 0.01 0.00 -1.58 0.00 0.00 42.46 40.63 2bny s ILE 33 CO 0.01 0.06 1.06 -0.94 -1.23 0.00 0.00 174.94 173.90 2bny s SER 34 N 0.07 5.31 0.97 3.58 1.04 -0.80 -1.64 113.70 122.23 2bny s SER 34 Ca -0.00 1.60 -0.12 0.00 0.48 0.00 0.00 55.95 57.91 2bny s SER 34 Cb -0.02 -2.47 0.17 0.00 0.10 0.00 0.00 66.02 63.80 2bny s SER 34 CO -0.00 -1.49 1.10 -0.55 0.98 0.00 0.00 173.24 173.28 2bny s SER 35 N -3.79 2.88 0.09 7.02 0.15 -1.26 -4.66 113.70 114.13 2bny s SER 35 Ca 0.58 1.18 0.00 0.00 0.70 0.00 0.00 55.95 58.41 2bny s SER 35 Cb -0.14 -1.84 0.00 0.00 -1.71 0.00 0.00 66.02 62.33 2bny s SER 35 CO 0.55 -2.97 0.00 0.59 1.20 0.00 0.00 173.24 172.61 2bny n ASN 36 N -4.07 -1.85 -1.37 5.45 3.02 -1.26 -4.79 115.26 110.40 2bny n ASN 36 Ca 0.06 0.31 -0.19 0.00 -0.03 0.00 0.00 54.58 54.73 2bny n ASN 36 Cb 0.57 -0.88 -0.03 0.00 -0.61 0.00 0.00 39.78 38.83 2bny n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2bny n SER 37 N -1.56 0.31 0.13 6.41 7.64 -1.26 -4.71 113.62 120.58 2bny n SER 37 Ca 0.00 0.30 0.17 0.00 1.01 0.00 0.00 58.87 60.35 2bny n SER 37 Cb 0.13 -0.26 0.73 0.00 -1.01 0.00 0.00 64.21 63.80 2bny n SER 37 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2bny h ARG 38 N 1.91 0.00 0.00 1.43 9.65 -1.90 0.88 114.38 126.35 2bny h ARG 38 Ca -0.10 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.75 2bny h ARG 38 Cb 0.41 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 2bny h ARG 38 CO 0.30 0.00 -0.17 0.66 2.80 0.00 0.00 179.97 183.56 2bny h SER 39 N 0.00 0.00 -0.14 -3.80 4.64 -1.87 -2.98 113.55 109.41 2bny h SER 39 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2bny h SER 39 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2bny h SER 39 CO -0.00 0.17 0.00 0.00 -0.87 0.00 0.00 176.83 176.13 2bny n GLN 40 N -3.44 2.60 -2.70 4.77 6.02 0.23 -3.93 117.38 120.93 2bny n GLN 40 Ca -0.01 -2.11 -0.30 0.00 -0.01 0.00 0.00 57.00 54.57 2bny n GLN 40 Cb 0.35 -1.33 -0.02 0.00 1.02 0.00 0.00 30.24 30.26 2bny n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2bny s ALA 41 N -1.71 3.31 0.26 -1.58 0.00 -0.77 -4.84 121.76 116.44 2bny s ALA 41 Ca 0.20 -0.20 -0.16 0.00 0.00 0.00 0.00 51.96 51.81 2bny s ALA 41 Cb 0.15 -2.76 -0.08 0.00 0.00 0.00 0.00 23.12 20.43 2bny s ALA 41 CO 0.07 -0.14 0.69 0.71 0.00 0.00 0.00 175.76 177.09 2bny s TYR 42 N -2.51 3.48 0.01 0.00 1.51 -1.26 -4.60 117.35 113.98 2bny s TYR 42 Ca 0.52 1.21 0.03 0.00 -1.01 0.00 0.00 57.07 57.82 2bny s TYR 42 Cb -0.10 -2.51 -0.01 0.00 -0.11 0.00 0.00 41.96 39.22 2bny s TYR 42 CO 0.35 0.22 -0.09 0.21 -1.11 0.00 0.00 175.55 175.12 2bny s LYS 43 N -2.56 0.69 -0.03 -0.62 2.20 -1.12 -1.90 119.74 116.40 2bny s LYS 43 Ca 0.48 -0.48 -0.01 0.00 -0.36 0.00 0.00 55.97 55.60 2bny s LYS 43 Cb -0.13 -0.64 0.03 0.00 -1.51 0.00 0.00 37.83 35.58 2bny s LYS 43 CO 0.19 0.16 0.05 0.08 -0.36 0.00 0.00 175.35 175.48 2bny s VAL 44 N -0.56 -0.06 0.08 4.02 1.01 -0.50 -1.10 120.40 123.30 2bny s VAL 44 Ca 0.00 0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.26 2bny s VAL 44 Cb -0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.18 2bny s VAL 44 CO 0.00 0.09 -0.15 0.42 0.00 0.00 0.00 175.10 175.46 2bny s THR 45 N 1.15 1.21 -0.02 3.92 -4.23 0.04 0.01 115.64 117.71 2bny s THR 45 Ca -0.08 -1.40 -0.12 0.00 -1.18 0.00 0.00 61.69 58.91 2bny s THR 45 Cb -0.13 -1.20 0.02 0.00 1.34 0.00 0.00 72.50 72.53 2bny s THR 45 CO -0.04 -0.24 0.25 0.00 -0.54 0.00 0.00 174.62 174.05 2bny s SER 47 N -1.23 -0.52 -0.01 0.00 1.04 -1.07 -1.01 113.70 110.90 2bny s SER 47 Ca -0.13 0.34 0.02 0.00 0.48 0.00 0.00 55.95 56.66 2bny s SER 47 Cb -0.06 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2bny s SER 47 CO 0.03 -0.65 -0.06 -0.69 0.98 0.00 0.00 173.24 172.86 2bny s VAL 48 N -2.17 0.51 0.11 5.02 1.01 -1.26 -1.25 120.40 122.37 2bny s VAL 48 Ca -0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 2bny s VAL 48 Cb -0.01 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 2bny s VAL 48 CO -0.01 0.16 0.06 0.00 0.00 0.00 0.00 175.10 175.32 2bny s ARG 49 N 0.10 0.85 -0.91 2.72 1.70 -0.77 -4.97 118.95 117.67 2bny s ARG 49 Ca -0.01 -1.31 -0.18 0.00 -0.47 0.00 0.00 55.73 53.76 2bny s ARG 49 Cb -0.05 0.25 0.15 0.00 -0.57 0.00 0.00 34.95 34.73 2bny s ARG 49 CO -0.00 -0.23 1.04 -1.14 -1.08 0.00 0.00 175.30 173.89 2bny s GLN 50 N -3.99 3.60 0.24 3.89 2.00 -1.26 -0.24 119.66 123.89 2bny s GLN 50 Ca 0.17 -1.93 -0.06 0.00 -2.00 0.00 0.00 55.36 51.55 2bny s GLN 50 Cb 0.07 -4.80 0.37 0.00 0.80 0.00 0.00 33.01 29.44 2bny s GLN 50 CO -0.03 -1.66 1.80 0.66 -0.50 0.00 0.00 175.29 175.56 2bny h SER 51 N 8.58 0.58 -2.90 6.67 4.64 -1.64 -3.46 113.55 126.02 2bny h SER 51 Ca 0.15 0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 61.36 2bny h SER 51 Cb 1.03 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 63.02 2bny h SER 51 CO 1.02 0.34 -0.09 -1.54 -0.87 0.00 0.00 176.83 175.69 2bny n SER 52 N -4.79 -0.71 0.12 4.97 3.41 -1.04 -4.99 113.62 110.59 2bny n SER 52 Ca 0.12 -2.02 0.03 0.00 -0.26 0.00 0.00 58.87 56.74 2bny n SER 52 Cb 0.27 1.34 0.43 0.00 -0.26 0.00 0.00 64.21 66.00 2bny n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bny h ALA 53 N 1.74 1.62 0.00 7.33 0.00 -2.04 -3.18 119.26 124.74 2bny h ALA 53 Ca -0.14 -0.14 -0.32 0.00 0.00 0.00 0.00 54.91 54.31 2bny h ALA 53 Cb 0.64 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 2bny h ALA 53 CO 0.20 0.28 -2.04 1.04 0.00 0.00 0.00 179.25 178.73 2bny n GLN 54 N -4.35 0.66 -4.32 0.00 1.13 -1.26 -4.90 117.38 104.33 2bny n GLN 54 Ca -0.00 0.13 -0.30 0.00 -1.94 0.00 0.00 57.00 54.89 2bny n GLN 54 Cb 0.20 -1.65 -0.11 0.00 0.11 0.00 0.00 30.24 28.79 2bny n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2bny s ASN 55 N -5.74 4.06 0.03 1.08 0.01 -1.20 -0.41 114.94 112.78 2bny s ASN 55 Ca -0.07 -0.48 0.05 0.00 -0.71 0.00 0.00 52.86 51.65 2bny s ASN 55 Cb 0.07 -0.66 -0.03 0.00 0.41 0.00 0.00 41.25 41.04 2bny s ASN 55 CO 0.83 0.19 -0.11 -0.13 -1.51 0.00 0.00 177.10 176.37 2bny s ARG 56 N -2.07 2.33 -0.06 -0.60 0.52 -0.60 -1.70 118.95 116.78 2bny s ARG 56 Ca 0.19 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.54 2bny s ARG 56 Cb -0.11 -2.37 0.02 0.00 0.52 0.00 0.00 34.95 33.02 2bny s ARG 56 CO 0.11 0.57 -0.03 0.21 0.02 0.00 0.00 175.30 176.17 2bny s LYS 57 N -1.55 0.82 0.06 3.54 2.20 0.66 -1.14 119.74 124.33 2bny s LYS 57 Ca 0.17 -0.05 -0.07 0.00 -0.36 0.00 0.00 55.97 55.66 2bny s LYS 57 Cb -0.11 -0.94 -0.05 0.00 -1.51 0.00 0.00 37.83 35.22 2bny s LYS 57 CO 0.08 -0.16 0.32 0.71 -0.36 0.00 0.00 175.35 175.94 2bny s TYR 58 N 1.29 3.55 -0.24 4.03 1.51 0.44 -1.84 117.35 126.09 2bny s TYR 58 Ca -0.05 0.60 -0.02 0.00 -1.01 0.00 0.00 57.07 56.59 2bny s TYR 58 Cb -0.14 -2.02 0.08 0.00 -0.11 0.00 0.00 41.96 39.77 2bny s TYR 58 CO -0.02 0.55 0.06 0.99 -1.11 0.00 0.00 175.55 176.02 2bny s THR 59 N -1.41 0.62 -0.06 -0.71 2.01 -0.38 -1.46 115.64 114.24 2bny s THR 59 Ca 0.32 -0.86 -0.02 0.00 0.31 0.00 0.00 61.69 61.44 2bny s THR 59 Cb -0.13 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 2bny s THR 59 CO 0.19 -0.39 0.05 -0.63 -0.69 0.00 0.00 174.62 173.15 2bny s ILE 60 N 1.79 4.62 -0.01 1.82 -1.09 -0.16 -2.59 121.20 125.57 2bny s ILE 60 Ca 0.03 -0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.22 2bny s ILE 60 Cb -0.17 -3.01 0.01 0.00 -1.58 0.00 0.00 42.46 37.71 2bny s ILE 60 CO -0.16 0.52 -0.00 -0.54 -1.23 0.00 0.00 174.94 173.54 2bny s LYS 61 N -1.19 0.13 -0.00 2.79 1.02 -0.10 -0.76 119.74 121.64 2bny s LYS 61 Ca 0.17 0.03 0.03 0.00 0.02 0.00 0.00 55.97 56.21 2bny s LYS 61 Cb -0.12 -0.24 -0.01 0.00 -0.52 0.00 0.00 37.83 36.95 2bny s LYS 61 CO 0.06 -0.05 -0.09 0.08 -0.92 0.00 0.00 175.35 174.43 2bny s VAL 62 N 0.46 0.72 -0.12 3.17 1.01 -0.23 -0.78 120.40 124.63 2bny s VAL 62 Ca -0.04 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.54 2bny s VAL 62 Cb -0.06 -0.61 0.01 0.00 0.00 0.00 0.00 36.38 35.72 2bny s VAL 62 CO -0.01 0.18 -0.19 -1.61 0.00 0.00 0.00 175.10 173.47 2bny s GLU 63 N -0.27 2.62 -0.25 2.72 2.02 -0.26 -0.90 118.70 124.38 2bny s GLU 63 Ca 0.03 -0.71 -0.04 0.00 0.02 0.00 0.00 54.97 54.27 2bny s GLU 63 Cb -0.04 -2.14 0.01 0.00 0.10 0.00 0.00 34.13 32.06 2bny s GLU 63 CO -0.00 -0.01 -0.01 0.08 0.02 0.00 0.00 175.26 175.33 2bny s VAL 64 N 0.83 3.37 0.29 2.63 1.01 -0.35 -2.79 120.40 125.40 2bny s VAL 64 Ca -0.08 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 2bny s VAL 64 Cb -0.16 -2.67 -0.06 0.00 0.00 0.00 0.00 36.38 33.49 2bny s VAL 64 CO -0.00 0.23 0.61 -2.16 0.00 0.00 0.00 175.10 173.77 2bny s PRO 65 N 1.43 3.75 -0.60 2.72 0.04 -1.26 -0.57 135.00 140.50 2bny s PRO 65 Ca 0.03 0.24 -0.09 0.00 0.04 0.00 0.00 61.00 61.22 2bny s PRO 65 Cb -0.16 -2.58 0.15 0.00 0.04 0.00 0.00 34.50 31.95 2bny s PRO 65 CO -0.02 0.19 0.48 0.21 0.04 0.00 0.00 177.00 177.90 2bny s LYS 66 N -3.31 2.79 0.23 4.56 2.47 -0.48 -4.98 119.74 121.02 2bny s LYS 66 Ca 0.47 -2.11 -0.32 0.00 -1.56 0.00 0.00 55.97 52.46 2bny s LYS 66 Cb -0.11 -4.02 -0.12 0.00 -1.46 0.00 0.00 37.83 32.12 2bny s LYS 66 CO 0.26 -1.22 1.64 0.28 0.16 0.00 0.00 175.35 176.47 2bny n VAL 67 N 4.36 0.41 -3.48 4.02 0.31 -1.26 -0.62 118.33 122.06 2bny n VAL 67 Ca 0.01 -0.10 -0.12 0.00 -0.01 0.00 0.00 64.34 64.12 2bny n VAL 67 Cb 0.41 -1.88 -0.03 0.00 -0.91 0.00 0.00 33.84 31.43 2bny n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bny s ALA 68 N 0.66 -1.75 0.05 3.52 0.00 -0.99 -4.77 121.76 118.48 2bny s ALA 68 Ca 0.71 0.94 -0.04 0.00 0.00 0.00 0.00 51.96 53.58 2bny s ALA 68 Cb -0.54 0.39 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 2bny s ALA 68 CO 0.40 -0.62 0.27 0.99 0.00 0.00 0.00 175.76 176.79 2bny s THR 69 N -2.80 5.31 -0.21 0.00 2.01 -1.26 -1.21 115.64 117.48 2bny s THR 69 Ca 0.00 -0.03 0.01 0.00 0.31 0.00 0.00 61.69 61.98 2bny s THR 69 Cb -0.01 -3.59 0.05 0.00 0.01 0.00 0.00 72.50 68.96 2bny s THR 69 CO -0.06 0.24 -0.10 -1.58 -0.69 0.00 0.00 174.62 172.42 2bny s GLN 70 N -2.15 2.07 -0.23 4.92 0.74 -0.17 -4.90 119.66 119.94 2bny s GLN 70 Ca 0.32 -0.95 -0.11 0.00 0.05 0.00 0.00 55.36 54.67 2bny s GLN 70 Cb -0.13 -2.53 -0.05 0.00 1.10 0.00 0.00 33.01 31.40 2bny s GLN 70 CO 0.21 -0.46 0.17 0.99 -0.55 0.00 0.00 175.29 175.64 2bny s THR 71 N 1.34 5.36 -0.22 -0.34 2.01 -1.26 -1.31 115.64 121.22 2bny s THR 71 Ca -0.03 0.21 -0.04 0.00 0.31 0.00 0.00 61.69 62.15 2bny s THR 71 Cb -0.17 -3.51 0.10 0.00 0.01 0.00 0.00 72.50 68.93 2bny s THR 71 CO -0.08 0.36 0.21 -0.69 -0.69 0.00 0.00 174.62 173.74 2bny s VAL 72 N 0.92 -0.30 -0.34 3.82 1.01 -0.35 -4.80 120.40 120.35 2bny s VAL 72 Ca 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.85 2bny s VAL 72 Cb -0.13 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.52 2bny s VAL 72 CO 0.03 -0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.46 2bny n GLY 73 N 5.31 0.63 1.76 4.51 0.00 -1.26 -2.50 105.19 113.64 2bny n GLY 73 Ca -0.05 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2bny n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bny n GLY 74 N -2.52 1.21 3.56 -0.02 0.00 -1.26 -5.01 105.19 101.15 2bny n GLY 74 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2bny n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bny s VAL 75 N -2.92 5.13 -0.18 1.61 1.01 -1.04 -5.06 120.40 118.95 2bny s VAL 75 Ca 0.00 0.21 -0.06 0.00 0.00 0.00 0.00 61.98 62.13 2bny s VAL 75 Cb 0.00 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 2bny s VAL 75 CO 0.00 -0.08 0.03 -1.83 0.00 0.00 0.00 175.10 173.21 2bny s GLU 76 N 2.12 3.83 0.08 2.72 -1.05 -1.26 -1.22 118.70 123.93 2bny s GLU 76 Ca 0.14 -0.42 0.09 0.00 -0.15 0.00 0.00 54.97 54.62 2bny s GLU 76 Cb -0.16 -3.12 -0.03 0.00 -0.44 0.00 0.00 34.13 30.37 2bny s GLU 76 CO 0.12 0.20 -0.21 -0.51 0.95 0.00 0.00 175.26 175.81 2bny s LEU 77 N 0.53 2.52 -0.14 1.83 1.43 -0.43 -4.90 118.68 119.52 2bny s LEU 77 Ca 0.01 -0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 52.28 2bny s LEU 77 Cb -0.13 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 2bny s LEU 77 CO 0.02 0.22 1.13 -2.84 0.23 0.00 0.00 176.35 175.11 2bny s PRO 78 N -1.70 4.31 0.00 1.29 0.02 -1.26 -1.00 135.00 136.66 2bny s PRO 78 Ca 0.15 1.53 0.00 0.00 0.02 0.00 0.00 61.00 62.70 2bny s PRO 78 Cb -0.10 -3.63 0.00 0.00 0.02 0.00 0.00 34.50 30.79 2bny s PRO 78 CO 0.06 -0.53 0.00 1.33 -0.33 0.00 0.00 177.00 177.53 2bny n VAL 79 N 4.97 0.00 -3.88 3.83 0.24 -0.35 -4.70 118.33 118.43 2bny n VAL 79 Ca 0.11 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.15 2bny n VAL 79 Cb 0.46 0.00 -0.17 0.00 -1.47 0.00 0.00 33.84 32.67 2bny n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2bny s ALA 80 N -2.00 1.32 0.27 2.33 0.00 -1.25 -2.35 121.76 120.08 2bny s ALA 80 Ca 0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 51.96 51.35 2bny s ALA 80 Cb 0.00 -0.98 0.58 0.00 0.00 0.00 0.00 23.12 22.72 2bny s ALA 80 CO 0.00 -0.57 1.74 0.00 0.00 0.00 0.00 175.76 176.93 2bny h ALA 81 N 8.17 1.29 -2.53 0.00 0.00 -1.16 -3.45 119.26 121.58 2bny h ALA 81 Ca -0.27 0.11 0.14 0.00 0.00 0.00 0.00 54.91 54.90 2bny h ALA 81 Cb 1.12 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 2bny h ALA 81 CO 0.39 -0.18 0.48 1.67 0.00 0.00 0.00 179.25 181.61 2bny s TRP 82 N -5.95 -0.02 0.03 0.00 1.48 -1.26 -5.03 118.94 108.19 2bny s TRP 82 Ca -0.12 -0.38 0.02 0.00 -1.06 0.00 0.00 56.10 54.56 2bny s TRP 82 Cb 0.23 0.69 -0.02 0.00 -1.16 0.00 0.00 33.47 33.21 2bny s TRP 82 CO 0.78 -0.99 -0.08 1.03 -4.06 0.00 0.00 176.95 173.63 2bny s ARG 83 N -2.74 0.54 -0.19 3.25 0.52 -1.26 -1.38 118.95 117.68 2bny s ARG 83 Ca 0.16 -0.62 -0.09 0.00 -0.52 0.00 0.00 55.73 54.66 2bny s ARG 83 Cb -0.03 -0.39 -0.05 0.00 0.52 0.00 0.00 34.95 35.01 2bny s ARG 83 CO 0.05 0.08 0.11 0.45 0.02 0.00 0.00 175.30 176.01 2bny s SER 84 N -1.19 6.02 -0.20 0.23 0.15 0.26 -4.93 113.70 114.04 2bny s SER 84 Ca -0.06 0.19 -0.02 0.00 0.70 0.00 0.00 55.95 56.75 2bny s SER 84 Cb -0.08 -2.05 -0.00 0.00 -1.71 0.00 0.00 66.02 62.18 2bny s SER 84 CO 0.00 0.18 -0.09 -0.31 1.20 0.00 0.00 173.24 174.23 2bny s TYR 85 N 0.34 2.90 -0.13 3.44 1.51 -1.26 -1.21 117.35 122.94 2bny s TYR 85 Ca 0.07 -1.02 -0.02 0.00 -1.01 0.00 0.00 57.07 55.08 2bny s TYR 85 Cb -0.11 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.68 2bny s TYR 85 CO -0.01 -0.54 -0.05 -1.17 -1.11 0.00 0.00 175.55 172.67 2bny s LEU 86 N 1.26 3.21 -0.07 -1.29 2.96 -0.08 -5.01 118.68 119.67 2bny s LEU 86 Ca 0.03 -0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 53.80 2bny s LEU 86 Cb -0.14 -1.75 0.04 0.00 0.50 0.00 0.00 46.19 44.83 2bny s LEU 86 CO -0.04 0.22 0.09 0.00 -1.32 0.00 0.00 176.35 175.30 2bny s ALA 87 N 0.06 0.16 0.07 5.97 0.00 -1.26 -1.07 121.76 125.69 2bny s ALA 87 Ca -0.01 0.20 0.07 0.00 0.00 0.00 0.00 51.96 52.23 2bny s ALA 87 Cb -0.14 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 2bny s ALA 87 CO 0.03 -0.63 -0.19 0.00 0.00 0.00 0.00 175.76 174.97 2bny s MET 88 N 2.20 1.15 -0.12 0.00 0.23 0.06 -5.00 119.30 117.82 2bny s MET 88 Ca 0.04 -1.03 0.01 0.00 -1.03 0.00 0.00 55.69 53.68 2bny s MET 88 Cb -0.13 -1.32 0.02 0.00 -1.53 0.00 0.00 34.83 31.87 2bny s MET 88 CO -0.05 0.32 -0.13 -1.21 -2.03 0.00 0.00 175.02 171.92 2bny s GLU 89 N -1.58 2.06 -0.21 3.16 2.02 -1.26 -0.99 118.70 121.90 2bny s GLU 89 Ca 0.05 -0.49 -0.01 0.00 0.02 0.00 0.00 54.97 54.55 2bny s GLU 89 Cb -0.09 -1.85 0.02 0.00 0.10 0.00 0.00 34.13 32.30 2bny s GLU 89 CO 0.03 -0.14 -0.13 -1.17 0.02 0.00 0.00 175.26 173.87 2bny s LEU 90 N 1.24 2.62 -0.25 1.80 2.96 -0.54 -4.96 118.68 121.56 2bny s LEU 90 Ca -0.02 -0.67 -0.09 0.00 -0.22 0.00 0.00 54.13 53.14 2bny s LEU 90 Cb -0.14 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 2bny s LEU 90 CO -0.05 -0.04 0.11 -0.89 -1.32 0.00 0.00 176.35 174.16 2bny s THR 91 N 1.34 4.73 -0.12 3.68 2.01 -1.26 -0.42 115.64 125.59 2bny s THR 91 Ca 0.03 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2bny s THR 91 Cb -0.14 -3.21 0.02 0.00 0.01 0.00 0.00 72.50 69.18 2bny s THR 91 CO -0.08 0.33 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.45 2bny s ILE 92 N 1.42 1.16 0.61 1.82 1.01 -0.29 -4.98 121.20 121.96 2bny s ILE 92 Ca 0.06 -0.39 -0.19 0.00 0.00 0.00 0.00 60.65 60.13 2bny s ILE 92 Cb -0.15 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 2bny s ILE 92 CO 0.05 0.39 1.28 -2.84 0.00 0.00 0.00 174.94 173.82 2bny s PRO 93 N 1.54 2.80 0.00 2.79 0.02 -1.26 -1.55 135.00 139.34 2bny s PRO 93 Ca 0.03 2.03 0.11 0.00 0.02 0.00 0.00 61.00 63.18 2bny s PRO 93 Cb -0.13 -1.95 0.54 0.00 0.02 0.00 0.00 34.50 32.98 2bny s PRO 93 CO -0.07 -1.40 1.24 0.44 -0.33 0.00 0.00 177.00 176.88 2bny n ILE 94 N -1.63 0.74 0.91 2.83 -5.35 0.45 -1.97 119.36 115.35 2bny n ILE 94 Ca 0.14 0.19 0.12 0.00 -0.27 0.00 0.00 62.75 62.93 2bny n ILE 94 Cb 0.48 -1.01 0.32 0.00 -1.74 0.00 0.00 39.64 37.69 2bny n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2bny n PHE 95 N -1.29 0.13 -2.17 4.28 3.72 -1.26 -4.86 117.46 116.00 2bny n PHE 95 Ca 0.05 0.04 -0.42 0.00 -0.05 0.00 0.00 57.45 57.07 2bny n PHE 95 Cb 0.09 -0.40 -0.03 0.00 -0.94 0.00 0.00 39.48 38.19 2bny n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2bny s ALA 96 N -3.03 3.59 0.82 4.37 0.00 -0.83 -5.01 121.76 121.66 2bny s ALA 96 Ca 0.11 1.07 -0.05 0.00 0.00 0.00 0.00 51.96 53.09 2bny s ALA 96 Cb 0.17 -3.55 0.17 0.00 0.00 0.00 0.00 23.12 19.90 2bny s ALA 96 CO 0.66 -0.69 1.11 0.25 0.00 0.00 0.00 175.76 177.08 2bny n THR 97 N 4.13 0.00 0.21 0.00 -2.24 -1.26 -4.88 114.28 110.24 2bny n THR 97 Ca 0.12 -1.41 0.06 0.00 -2.27 0.00 0.00 64.05 60.54 2bny n THR 97 Cb 0.43 -1.07 0.54 0.00 -2.10 0.00 0.00 70.33 68.12 2bny n THR 97 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2bny h ASN 98 N -0.94 0.06 -0.31 3.42 4.21 -2.00 -2.00 115.58 118.02 2bny h ASN 98 Ca -0.36 -0.01 -0.10 0.00 1.21 0.00 0.00 56.30 57.04 2bny h ASN 98 Cb 1.22 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 38.40 2bny h ASN 98 CO 0.34 0.15 -0.20 0.28 -1.29 0.00 0.00 177.43 176.71 2bny h SER 99 N 0.07 0.72 -0.47 5.81 0.02 -1.99 -1.58 113.55 116.12 2bny h SER 99 Ca 0.02 -0.43 -0.01 0.00 -0.84 0.00 0.00 61.79 60.52 2bny h SER 99 Cb 0.17 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 2bny h SER 99 CO 0.01 0.99 0.27 0.44 -1.14 0.00 0.00 176.83 177.40 2bny h ASP 100 N 0.44 0.60 -0.18 3.07 3.32 -1.74 -2.08 116.42 119.86 2bny h ASP 100 Ca 0.06 -0.04 -0.13 0.00 0.02 0.00 0.00 57.03 56.94 2bny h ASP 100 Cb 0.75 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2bny h ASP 100 CO 0.06 0.50 -0.39 0.00 -1.72 0.00 0.00 179.24 177.68 2bny h GLU 102 N 0.24 0.54 -0.18 0.00 5.08 -0.96 -0.27 114.58 119.03 2bny h GLU 102 Ca 0.00 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 2bny h GLU 102 Cb 1.00 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 2bny h GLU 102 CO 0.09 0.36 -0.11 1.25 -1.00 0.00 0.00 179.01 179.60 2bny h LEU 103 N 0.56 0.40 -1.28 1.33 5.85 -1.23 -1.54 115.31 119.41 2bny h LEU 103 Ca 0.23 -0.43 0.04 0.00 0.84 0.00 0.00 57.88 58.56 2bny h LEU 103 Cb 0.19 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 2bny h LEU 103 CO -0.06 0.75 0.51 0.40 -0.34 0.00 0.00 178.44 179.70 2bny h ILE 104 N 0.06 1.10 -0.37 4.05 2.04 -0.43 -0.89 117.51 123.07 2bny h ILE 104 Ca 0.04 -0.32 -0.15 0.00 1.00 0.00 0.00 64.86 65.43 2bny h ILE 104 Cb 0.61 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2bny h ILE 104 CO 0.03 0.17 -0.38 0.58 0.00 0.00 0.00 178.15 178.55 2bny h VAL 105 N 0.92 1.28 -0.47 1.67 2.07 -0.92 -2.58 116.25 118.22 2bny h VAL 105 Ca 0.32 -1.55 -0.04 0.00 0.82 0.00 0.00 66.70 66.25 2bny h VAL 105 Cb 0.10 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2bny h VAL 105 CO -0.10 0.52 0.14 0.11 0.02 0.00 0.00 177.57 178.26 2bny h LYS 106 N 0.73 0.69 -0.61 1.57 1.57 -0.25 -1.06 116.57 119.20 2bny h LYS 106 Ca 0.06 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 2bny h LYS 106 Cb 0.96 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.12 2bny h LYS 106 CO 0.09 0.60 0.19 0.00 -0.57 0.00 0.00 179.45 179.76 2bny h ALA 107 N 1.49 0.80 -0.55 3.86 0.00 -0.98 0.14 119.26 124.02 2bny h ALA 107 Ca 0.16 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2bny h ALA 107 Cb 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2bny h ALA 107 CO -0.01 0.46 -0.01 0.52 0.00 0.00 0.00 179.25 180.22 2bny h MET 108 N 0.87 0.97 -0.35 0.00 2.86 -1.03 -0.16 114.93 118.08 2bny h MET 108 Ca 0.20 -0.31 -0.11 0.00 -2.06 0.00 0.00 59.70 57.41 2bny h MET 108 Cb 0.29 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 2bny h MET 108 CO -0.01 0.98 -0.24 1.96 1.06 0.00 0.00 176.91 180.66 2bny h GLN 109 N 0.85 0.71 -0.42 1.72 4.20 -0.93 -2.99 115.11 118.24 2bny h GLN 109 Ca 0.15 -0.29 -0.15 0.00 0.06 0.00 0.00 58.65 58.43 2bny h GLN 109 Cb 0.54 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 2bny h GLN 109 CO 0.03 0.88 -0.32 0.78 -0.67 0.00 0.00 178.83 179.53 2bny h GLY 110 N 0.98 1.04 0.67 3.46 0.00 -0.48 -1.39 103.07 107.35 2bny h GLY 110 Ca 0.08 -1.01 0.14 0.00 0.00 0.00 0.00 47.33 46.55 2bny h GLY 110 CO 0.06 0.91 0.51 -2.00 0.00 0.00 0.00 176.54 176.02 2bny h LEU 111 N 0.79 0.44 -0.84 3.11 5.85 -0.89 -2.52 115.31 121.25 2bny h LEU 111 Ca 0.08 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2bny h LEU 111 Cb 0.91 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.88 2bny h LEU 111 CO 0.08 0.23 -0.45 0.18 -0.34 0.00 0.00 178.44 178.14 2bny n LEU 112 N -4.49 1.71 -4.52 2.25 4.77 -1.13 -4.33 117.00 111.25 2bny n LEU 112 Ca 0.15 -0.73 -0.41 0.00 -0.03 0.00 0.00 56.01 54.98 2bny n LEU 112 Cb 0.51 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.61 2bny n LEU 112 CO 0.32 0.33 0.29 1.17 -1.33 0.00 0.00 177.39 178.17 2bny n LYS 113 N -0.22 0.86 -1.75 3.23 4.81 -0.54 -4.74 118.16 119.82 2bny n LYS 113 Ca 0.07 0.31 -0.42 0.00 -0.87 0.00 0.00 58.31 57.41 2bny n LYS 113 Cb 0.39 -1.76 -0.01 0.00 0.02 0.00 0.00 35.03 33.67 2bny n LYS 113 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2bny n ASP 114 N 0.79 3.61 0.00 3.14 8.00 -1.26 -2.64 116.55 128.19 2bny n ASP 114 Ca 0.11 1.19 0.00 0.00 0.71 0.00 0.00 54.79 56.80 2bny n ASP 114 Cb 0.40 -1.58 0.00 0.00 -0.02 0.00 0.00 41.12 39.92 2bny n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bny n GLY 115 N 1.24 1.40 3.85 0.44 0.00 -1.26 -5.05 105.19 105.81 2bny n GLY 115 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2bny n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bny s ASN 116 N -2.91 6.59 0.14 1.61 -0.87 -1.08 -4.89 114.94 113.52 2bny s ASN 116 Ca 0.00 1.41 -0.26 0.00 -1.57 0.00 0.00 52.86 52.44 2bny s ASN 116 Cb 0.00 -2.44 -0.05 0.00 -0.02 0.00 0.00 41.25 38.74 2bny s ASN 116 CO 0.00 -0.51 1.30 -2.65 -2.57 0.00 0.00 177.10 172.67 2bny n PRO 117 N -1.46 -0.36 0.14 -0.60 -0.02 -1.26 -1.90 135.00 129.54 2bny n PRO 117 Ca 0.05 1.28 -0.14 0.00 -2.02 0.00 0.00 63.50 62.67 2bny n PRO 117 Cb 0.54 -1.88 -0.08 0.00 -0.02 0.00 0.00 33.50 32.06 2bny n PRO 117 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2bny h ILE 118 N 0.00 0.79 -0.09 4.25 2.04 -1.94 -1.03 117.51 121.53 2bny h ILE 118 Ca 0.14 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 2bny h ILE 118 Cb 0.35 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 2bny h ILE 118 CO -0.80 0.09 -0.04 1.55 0.00 0.00 0.00 178.15 178.95 2bny h PRO 119 N -0.56 0.13 -0.10 2.37 0.13 -1.73 -1.64 132.00 130.59 2bny h PRO 119 Ca -0.04 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 2bny h PRO 119 Cb 0.41 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.51 2bny h PRO 119 CO 0.06 0.19 0.01 0.77 -0.23 0.00 0.00 178.00 178.79 2bny h SER 120 N 0.13 0.17 0.16 1.44 0.02 -1.25 -0.60 113.55 113.62 2bny h SER 120 Ca 0.03 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2bny h SER 120 Cb 0.17 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2bny h SER 120 CO 0.01 0.42 -0.17 0.00 -1.14 0.00 0.00 176.83 175.95 2bny h ALA 121 N 0.76 -0.33 -0.19 3.77 0.00 -0.72 -2.77 119.26 119.79 2bny h ALA 121 Ca 0.03 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2bny h ALA 121 Cb 0.32 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2bny h ALA 121 CO 0.00 -0.71 -0.06 0.82 0.00 0.00 0.00 179.25 179.30 2bny h ILE 122 N -0.36 0.77 0.00 0.00 2.04 -1.28 0.47 117.51 119.15 2bny h ILE 122 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2bny h ILE 122 Cb 0.34 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2bny h ILE 122 CO -0.05 0.00 0.03 0.00 0.00 0.00 0.00 178.15 178.14 2bny n ALA 123 N -2.43 0.99 -1.82 1.87 0.00 -0.24 -2.27 120.51 116.62 2bny n ALA 123 Ca -0.02 0.17 0.04 0.00 0.00 0.00 0.00 53.44 53.63 2bny n ALA 123 Cb 0.14 -1.23 0.16 0.00 0.00 0.00 0.00 19.45 18.52 2bny n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bny n ALA 124 N -1.73 3.46 -2.22 0.00 0.00 -0.72 -4.96 120.51 114.34 2bny n ALA 124 Ca -0.01 -3.13 -0.12 0.00 0.00 0.00 0.00 53.44 50.17 2bny n ALA 124 Cb 0.06 -0.43 -0.02 0.00 0.00 0.00 0.00 19.45 19.06 2bny n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2bny n ASN 125 N -0.77 -3.80 -4.81 0.00 3.02 -0.96 -4.92 115.26 103.02 2bny n ASN 125 Ca 0.17 0.22 -0.27 0.00 -0.03 0.00 0.00 54.58 54.67 2bny n ASN 125 Cb 0.80 -3.29 -0.05 0.00 -0.61 0.00 0.00 39.78 36.63 2bny n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2bny s SER 126 N -2.03 4.45 0.00 6.41 0.01 0.08 -5.03 113.70 117.58 2bny s SER 126 Ca 0.00 -1.25 0.00 0.00 1.31 0.00 0.00 55.95 56.01 2bny s SER 126 Cb 0.00 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.28 2bny s SER 126 CO 0.00 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.45 2bny n GLY 127 N -1.44 5.79 3.91 3.44 0.00 -1.26 -4.14 105.19 111.49 2bny n GLY 127 Ca -0.05 -1.91 -0.29 0.00 0.00 0.00 0.00 46.02 43.78 2bny n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bny s ILE 128 N 1.69 5.17 0.00 -0.61 -1.09 -1.26 -4.76 121.20 120.34 2bny s ILE 128 Ca 0.00 -0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.23 2bny s ILE 128 Cb 0.00 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 37.18 2bny s ILE 128 CO 0.00 -0.13 0.00 0.00 -1.23 0.00 0.00 174.94 173.58